| SpectraBase Compound ID | AReMYLSkQ15 |
|---|---|
| InChI | InChI=1S/C15H15NO2/c1-12(17)5-3-2-4-6-15(18)14-9-7-13(11-16)8-10-14/h4,6-10H,2-3,5H2,1H3/b6-4+ |
| InChIKey | UVEMOQXJMPIGIK-GQCTYLIASA-N |
| Mol Weight | 241.29 g/mol |
| Molecular Formula | C15H15NO2 |
| Exact Mass | 241.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4o07Fbp9NYW |
|---|---|
| Name | 4-(7-oxo-oct-2-Enoyl)-benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.110278725 u |
| Formula | C15H15NO2 |
| InChI | InChI=1S/C15H15NO2/c1-12(17)5-3-2-4-6-15(18)14-9-7-13(11-16)8-10-14/h4,6-10H,2-3,5H2,1H3/b6-4+ |
| InChIKey | UVEMOQXJMPIGIK-GQCTYLIASA-N |
| Molecular Weight | 241.290 g/mol |
| SMILES | C=1C=C(C=CC1C#N)C(=O)\C=C\CCCC(C)=O |